SCHEMBL3159641

SCHEMBL3159641

Nc1ncc(N)c(NCCO)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
CHUK O15111 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CCNA2 P20248 4/20 0.40
CDK2 P24941 4/20 0.40
CCNA1 P78396 4/20 0.40
POLB P06746 2/20 0.39
EGFR P00533 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PTPN1 P18031 1/20 0.36
CYP3A4 P08684 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23472667 0.78 TNF (0.49) NUDT1L3MBTL1TNF
SCHEMBL24765256 0.77 NUDT1 (0.46) NUDT1KDM4EL3MBTL1HRH4
SCHEMBL3162598 0.76 L3MBTL1 (0.71) L3MBTL1POLBALDH1A1GAACYP3A4
SCHEMBL3251723 0.72 KDM4E (0.45) KDM4EMAPK1CHUKCYP2C19CCNA2
SCHEMBL7521450 0.71 RXFP1 (0.56) KDM4EMAPK1CYP2D6CYP2C19EGFR
SCHEMBL5205294 0.71 MMP13 (0.40) NUDT1KDM4EALDH1A1TNF
SCHEMBL5205013 0.71 KCNH2 (0.40) KDM4ECYP2D6CYP2C19POLBALDH1A1
SCHEMBL5206828 0.71 MAPT (0.39) KDM4EMAPK1L3MBTL1ALDH1A1TNF
SCHEMBL3252539 0.70 NPC1 (0.38) NUDT1KDM4EMAPK1CHUKCYP2D6
SCHEMBL3253939 0.70 IRAK1 (0.41) KDM4EMAPK1CHUKCCNA2CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883639-B1 PREPARATION OF FAMCICLOVIR AND OTHER PURINE DERIVATIVES ARROW INT LTD (MT) 2010-09-01 EP disclosed
EP-1636231-B1 METHODS FOR PREPARING 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]-2-AMINOPURINE USING A COMPOUND OF 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES KYUNGDONG PHARM CO LTD (KR) 2010-03-24 EP disclosed
US-7601835-B2 Preparation of famciclovir and other purine derivatives ARROW INTERNATIONAL LIMITED (MT) 2009-10-13 US disclosed
US-7601835-B2 Preparation of famciclovir and other purine derivatives ARROW INTERNATIONAL LIMITED (MT) 2009-10-13 US disclosed
CN-100455583-C 2-amino-9- (2-substituted ethyl) purines and methods of using same to prepare 9- [ 4-acetoxy-3- (acetoxymethyl) butan-1-yl ] -2-aminopurine KYUNGDONG PHARM CO LTD (KR) 2009-01-28 CN disclosed
US-7456282-B2 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2008-11-25 US disclosed
US-7456282-B2 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2008-11-25 US disclosed
US-7456282-B2 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2008-11-25 US disclosed
US-20060258862-A1 2-Amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2006-11-16 US disclosed
CN-1791602-A 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9- 4-acetoxy-3-(acetoxymethyl)but-1-yl]- 2- aminopurine using the same KYUNGDONG PHARM CO LTD (KR) 2006-06-21 CN disclosed
EP-1636231-A2 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES AND PREPARING METHODS FOR 9- 4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]- 2- AMINOPURINE USING THE SAME Kyungdong Pharm. Co., Ltd. (KR) 2006-03-22 EP disclosed
WO-2004110343-A2 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES AND PREPARING METHODS FOR 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]- 2- AMINOPURINE USING THE SAME KYUNGDONG PHARM. CO., LTD. (KR) 2004-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060258862-A1 2-Amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same TYMP, TPMT, PNP NUDT1 7/4885KDM4E 783/4885MAPK1 2168/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.